SCHEMBL12429382

SCHEMBL12429382

CN(C)CC(=O)Nc1ccc(F)c(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 13/20 0.71
▸ MAPK8 P45983 10/20 0.71
▸ GRK5 P34947 7/20 0.67
▸ AURKB Q96GD4 2/20 0.51
▸ PTK2 Q05397 2/20 0.49
▸ ALK Q9UM73 2/20 0.47
▸ CDC7 O00311 1/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ DAPK3 O43293 1/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ PRKCG P05129 1/20 0.47
▸ ROS1 P08922 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ FER P16591 1/20 0.47
▸ LTK P29376 1/20 0.47
▸ AXL P30530 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ CSNK1A1 P48729 1/20 0.47
▸ CLK2 P49760 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12429369 0.91 GRK5 (0.68) IGF1RMAPK8GRK5AURKBPTK2
SCHEMBL12429383 0.90 GRK5 (0.67) IGF1RMAPK8GRK5AURKBPTK2
SCHEMBL12429294 0.90 GRK5 (0.84) IGF1RMAPK8GRK5
SCHEMBL12429403 0.88 GRK5 (0.69) IGF1RMAPK8GRK5AURKBPTK2
SCHEMBL13941385 0.86 IGF1R (0.55) IGF1RMAPK8GRK5AURKBPTK2
SCHEMBL12429481 0.85 IGF1R (0.64) IGF1RMAPK8GRK5AURKBALK
SCHEMBL12429642 0.85 IGF1R (0.64) IGF1RMAPK8GRK5PTK2ALK
SCHEMBL12429554 0.85 IGF1R (0.62) IGF1RMAPK8GRK5PTK2ALK
SCHEMBL12429402 0.83 IGF1R (0.60) IGF1RMAPK8GRK5AURKBPTK2
SCHEMBL13941456 0.83 IGF1R (1.00) IGF1RMAPK8GRK5PTK2ALK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981903-B2 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-07-19 — — US disclosed
US-7981903-B2 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-07-19 — — US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 — — US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer IGF1R, IGFBP2, IGFBP1 IGF1R 1/4885MAPK8 1305/4885GRK5 616/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback